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BDBM21921 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2,3-dihydroxypropyl)amino]quinoline-3-carbonitrile::Cyanoquinoline, 34

SMILES: OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=GBWAKUBDAHZEBU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21921   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM21921
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2,3...)
Show SMILES OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C19H15BrClFN4O2/c20-15-4-12(24-8-13(28)9-27)3-14-18(10(6-23)7-25-19(14)15)26-11-1-2-17(22)16(21)5-11/h1-5,7,13,24,27-28H,8-9H2,(H,25,26)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair